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Water → ethyl 2-(1-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)acetate

HRID 286988
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HRID 286988 반응식
[CH2:12]([CH3:13])[O:14][C:15]([CH2:16][CH:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1)=[O:23].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:1][c:2]1[n:3][c:4]([Cl:11])[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2.[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH2:33]>>[Cl:1][c:2]1[n:3][c:4]([N:20]2[CH2:19][CH2:18][CH:17]([CH2:16][C:15]([O:14][CH2:12][CH3:13])=[O:23])[CH2:22][CH2:21]2)[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2
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HCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 2760465Ethyl 2-(piperidin-4-yl)acetateHCID 141168712,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine

생성물 1

HCID 57990296

출처 및 근거

ORD 기록
ord-1c0a5e1de02c443b9cd62bae93be1a4c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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ethyl 2-(1-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)acetate